SCHEMBL13720004

SCHEMBL13720004

O=CN1CC(=Cc2ccccc2F)C(=O)C(=Cc2ccccc2F)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.63
DYRK2 Q92630 2/20 0.63
RAF1 P04049 1/20 0.63
RPS6KB1 P23443 1/20 0.63
MAPK1 P28482 1/20 0.63
AKT1 P31749 1/20 0.63
AKT2 P31751 1/20 0.63
KDR P35968 1/20 0.63
PRKAG1 P54619 1/20 0.63
MAP2K1 Q02750 1/20 0.63
PRKAA1 Q13131 1/20 0.63
MAPK14 Q16539 1/20 0.63
NEK1 Q96PY6 1/20 0.63
PRKAB1 Q9Y478 1/20 0.63
ACHE P22303 4/20 0.61
MAPT P10636 1/20 0.47
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.43
HSD11B1 P28845 2/20 0.41
CCR3 P51677 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13720002 1.00 IKBKB (0.63) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL31518792 0.83 IKBKB (0.63) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL3567965 0.83 IKBKB (0.63) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL7130300 0.83 IKBKB (0.63) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL28617625 0.81 IKBKB (0.46) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL31518803 0.80 IKBKB (0.58) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL13719762 0.78 ACHE (0.71) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL13719764 0.78 ACHE (0.71) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL29786707 0.77 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL29363457 0.77 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359196-B2 Antiproliferative compositions comprising curcumin analogs and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-06-07 US disclosed
US-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2012-11-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME MCL1, LITAF, CTSA IKBKB 3061/4885DYRK2 4648/4885RAF1 4055/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.